8-chloro-3-[1-[5-chloro-2-ethoxy-4-methyl-3-(5-methyl-3-pyridinyl)phenyl]ethyl]imidazo[1,5-a]pyrazine

C23H22Cl2N4O — CID 147926784

IUPAC8-chloro-3-[1-[5-chloro-2-ethoxy-4-methyl-3-(5-methyl-3-pyridinyl)phenyl]ethyl]imidazo[1,5-a]pyrazine
SMILESCCOc1c(C(C)c2ncc3c(Cl)nccn23)cc(Cl)c(C)c1-c1cncc(C)c1
InChIInChI=1S/C23H22Cl2N4O/c1-5-30-21-17(14(3)23-28-12-19-22(25)27-6-7-29(19)23)9-18(24)15(4)20(21)16-8-13(2)10-26-11-16/h6-12,14H,5H2,1-4H3
InChIKeyIJBTUGLPKBKHRT-UHFFFAOYSA-N
MW441.36 g/mol
LogP6.27
Rot. Bonds5

About 8-chloro-3-[1-[5-chloro-2-ethoxy-4-methyl-3-(5-methyl-3-pyridinyl)phenyl]ethyl]imidazo[1,5-a]pyrazine

8-chloro-3-[1-[5-chloro-2-ethoxy-4-methyl-3-(5-methyl-3-pyridinyl)phenyl]ethyl]imidazo[1,5-a]pyrazine (PubChem CID 147926784) has the molecular formula C23H22Cl2N4O and a molecular weight of 441.36 g/mol. Its IUPAC name is 8-chloro-3-[1-[5-chloro-2-ethoxy-4-methyl-3-(5-methyl-3-pyridinyl)phenyl]ethyl]imidazo[1,5-a]pyrazine.

Molecular Properties

Compound Name8-chloro-3-[1-[5-chloro-2-ethoxy-4-methyl-3-(5-methyl-3-pyridinyl)phenyl]ethyl]imidazo[1,5-a]pyrazine
PubChem CID147926784
Molecular FormulaC23H22Cl2N4O
Molecular Weight441.36 g/mol
Exact Mass440.12
IUPAC Name8-chloro-3-[1-[5-chloro-2-ethoxy-4-methyl-3-(5-methyl-3-pyridinyl)phenyl]ethyl]imidazo[1,5-a]pyrazine
SMILESCCOc1c(C(C)c2ncc3c(Cl)nccn23)cc(Cl)c(C)c1-c1cncc(C)c1
InChIInChI=1S/C23H22Cl2N4O/c1-5-30-21-17(14(3)23-28-12-19-22(25)27-6-7-29(19)23)9-18(24)15(4)20(21)16-8-13(2)10-26-11-16/h6-12,14H,5H2,1-4H3
InChIKeyIJBTUGLPKBKHRT-UHFFFAOYSA-N
XLogP6.27
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.36
LogP ≤ 56.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-3-[1-[5-chloro-2-ethoxy-4-methyl-3-(5-methyl-3-pyridinyl)phenyl]ethyl]imidazo[1,5-a]pyrazine?
The IUPAC name of 8-chloro-3-[1-[5-chloro-2-ethoxy-4-methyl-3-(5-methyl-3-pyridinyl)phenyl]ethyl]imidazo[1,5-a]pyrazine (CID 147926784) is 8-chloro-3-[1-[5-chloro-2-ethoxy-4-methyl-3-(5-methyl-3-pyridinyl)phenyl]ethyl]imidazo[1,5-a]pyrazine.
What is the SMILES notation for 8-chloro-3-[1-[5-chloro-2-ethoxy-4-methyl-3-(5-methyl-3-pyridinyl)phenyl]ethyl]imidazo[1,5-a]pyrazine?
The canonical SMILES for 8-chloro-3-[1-[5-chloro-2-ethoxy-4-methyl-3-(5-methyl-3-pyridinyl)phenyl]ethyl]imidazo[1,5-a]pyrazine is CCOc1c(C(C)c2ncc3c(Cl)nccn23)cc(Cl)c(C)c1-c1cncc(C)c1.
What is the InChIKey of 8-chloro-3-[1-[5-chloro-2-ethoxy-4-methyl-3-(5-methyl-3-pyridinyl)phenyl]ethyl]imidazo[1,5-a]pyrazine?
The InChIKey is IJBTUGLPKBKHRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22Cl2N4O/c1-5-30-21-17(14(3)23-28-12-19-22(25)27-6-7-29(19)23)9-18(24)15(4)20(21)16-8-13(2)10-26-11-16/h6-12,14H,5H2,1-4H3.
What are the key properties of 8-chloro-3-[1-[5-chloro-2-ethoxy-4-methyl-3-(5-methyl-3-pyridinyl)phenyl]ethyl]imidazo[1,5-a]pyrazine?
8-chloro-3-[1-[5-chloro-2-ethoxy-4-methyl-3-(5-methyl-3-pyridinyl)phenyl]ethyl]imidazo[1,5-a]pyrazine has a molecular weight of 441.36 g/mol, XLogP of 6.27, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-3-[1-[5-chloro-2-ethoxy-4-methyl-3-(5-methyl-3-pyridinyl)phenyl]ethyl]imidazo[1,5-a]pyrazine is sourced from PubChem (CID 147926784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).